Sugi Predict

Sugi Predict / Compounds / SCHEMBL732963

SCHEMBL732963

SCHEMBL732963

COC(=O)CCn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.35
▸ GPBAR1 Q8TDU6 3/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ BDKRB1 P46663 3/20 0.31
▸ BTK Q06187 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TTR P02766 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL701470 0.95 HTR2A (0.33) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL701471 0.95 HTR2A (0.33) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL14864183 0.93 CETP (0.35) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL733220 0.91 PTGDR2 (0.37) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL733221 0.91 PTGDR2 (0.37) CETPGPBAR1TBXA2RPTGDRPTGDR2
SCHEMBL702669 0.91 BTK (0.31) GPBAR1BTKHTR2AHTR2CCRHR1
SCHEMBL702667 0.91 BTK (0.31) GPBAR1BTKHTR2AHTR2CCRHR1
SCHEMBL701711 0.90 GCK (0.32) GPBAR1BTK
SCHEMBL2625189 0.90 ALDH1A1 (0.31) GPBAR1BDKRB1BTK
SCHEMBL701709 0.90 GCK (0.32) GPBAR1BTK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 — — US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 — — EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 — — US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 — — US disclosed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 CETP 3721/4885GPBAR1 121/4885TBXA2R 6/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CETP 3721/4885GPBAR1 121/4885TBXA2R 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.